Concepedia

Role of hydration in determining the structure and vibrational spectra of L-alanine and N-acetyl L-alanine N′-methylamide in aqueous solution: a combined theoretical and experimental approach

K. J. Jalkanen, Ivan Degtyarenko, R. M. Nieminen, Xiaolin Cao, Laurence A. Nafié, Fujiang Zhu, Laurence D. Barron

Theoretical Chemistry Accounts · 2007 · 118 citations · 147 references

DOI

Concepts

References

147

Dynamical Theory of Crystal Lattices

Max Born, Kun Huang, M. Lax · American Journal of Physics · 1955 · 10.6K citations

, , +9

Chemistry with ADF

G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 10K citations

, , +17

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

Andreas Klamt, Gerrit Schüürmann · Journal of the Chemical Society Perkin Transactions 2 · 1993 · 9.4K citations

, , +17

The Hydrogen Bond in the Solid State

Thomas Steiner · Angewandte Chemie International Edition · 2002 · 6.2K citations

, , +13

New Developments in Molecular Orbital Theory

Clemens Roothaan · Reviews of Modern Physics · 1951 · 5.5K citations

, , +14